Date of Graduation
Summer 2020
Degree
Master of Science in Materials Science
Department
Physics, Astronomy, and Materials Science
Committee Chair
Ridwan Sakidja
Abstract
In this study, a systematic study has been performed by using the large-scale classical reactive molecular dynamics (MD) simulations to model the Atomic Layer Deposition (ALD) processes that generated tan ultra-thin and sub-nano meter amorphous alumina. The ALD process employed both water pulse and (Trimethyl-Aluminum) TMA precursors deposited onto the surface of an aluminum wetting layer. The study varied the sizes of the substrate and the concentrations of water/hydroxide precursors with a range of operating temperature to design the most favorable configurations for the subsequent TMA precursors to add onto. The role of crystallographic orientation of the Al wetting layer was also investigated and compared. Advantages and limitations in using the reactive interatomic potentials of ReaxFF were identified and correlated with the observations obtained from the MD simulations.
Keywords
Molecular Dynamics, Atomic Layer Deposition, ReaxFF Potentials, Alumina, TMA
Subject Categories
Other Materials Science and Engineering
Copyright
© Yuxuan Lu
Recommended Citation
Lu, Yuxuan, "Ractive MD Simulation on the Formation of Amorphous Alumina Layer Using Atomic Layer Deposition (ALD)" (2020). MSU Graduate Theses/Dissertations. 3536.
https://bearworks.missouristate.edu/theses/3536
